[1-ethylsulfonyl-1-[3-(phenoxymethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[3-(phenoxymethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(phenoxymethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(phenoxymethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(phenoxymethyl)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(phenoxymethyl)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H25N2O3S+ MolecularWeight: 385.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)COC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC(=C2)COC3=CC=CC=C3

InChI

InChI=1S/C21H25N2O3S/c1-2-27(24,25)23(13-7-9-19(15-22)16-23)20-10-6-8-18(14-20)17-26-21-11-4-3-5-12-21/h3-12,14,16H,2,13,15,17,22H2,1H3/q+1